3-azanyl-7-chloranyl-1-oxidanidyl-cinnolin-1-ium-4-carboxylic acid

Systemtic Name: 3-azanyl-7-chloranyl-1-oxidanidyl-cinnolin-1-ium-4-carboxylic acid Openeye Name: 3-amino-7-chloro-1-oxido-cinnolin-1-ium-4-carboxylic acid CAS Name: 3-amino-7-chloro-1-oxido-4-cinnolin-1-iumcarboxylic acid IUPAC Name: 3-amino-7-chloro-1-oxidocinnolin-1-ium-4-carboxylic acid Traditional Name: 3-amino-7-chloro-1-oxido-cinnolin-1-ium-4-carboxylic acid Formula: C9H6ClN3O3 MolecularWeight: 239.61524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=N[N+](=C2C=C1Cl)[O-])N)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=N[N+](=C2C=C1Cl)[O-])N)C(=O)O

InChI

InChI=1S/C9H6ClN3O3/c10-4-1-2-5-6(3-4)13(16)12-8(11)7(5)9(14)15/h1-3H,(H2,11,12)(H,14,15)